N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine

C14H25N — CID 123385474

IUPACN-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine
SMILESC=CC(/N=C(\C)CCCC)=C(C)C(C)C
InChIInChI=1S/C14H25N/c1-7-9-10-12(5)15-14(8-2)13(6)11(3)4/h8,11H,2,7,9-10H2,1,3-6H3/b14-13?,15-12+
InChIKeyMPYHGIFETNGGQX-QTGIPPBTSA-N
MW207.36 g/mol
LogP4.75
Rot. Bonds6

About N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine

N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine (PubChem CID 123385474) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine.

Molecular Properties

Compound NameN-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine
PubChem CID123385474
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine
SMILESC=CC(/N=C(\C)CCCC)=C(C)C(C)C
InChIInChI=1S/C14H25N/c1-7-9-10-12(5)15-14(8-2)13(6)11(3)4/h8,11H,2,7,9-10H2,1,3-6H3/b14-13?,15-12+
InChIKeyMPYHGIFETNGGQX-QTGIPPBTSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,4Z)-1-fluoro-3-methylhepta-2,4,6-trien-2-yl]-3-methylbutan-2-imine
CID 170144865
3-Ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 59066683
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325
(5E)-3-ethyl-2,4-dimethyl-5-(2-methylpropylidene)pyrrole
CID 89219504
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
5-Methylidene-2,3-di(propan-2-yl)pyrrole
CID 89449382
N-[(3E,5Z)-4,5-dimethylnona-3,5,8-trien-3-yl]-4-methylhexan-2-imine
CID 123167041
3-methyl-N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]butan-2-imine
CID 123335850
CID 123355696
CID 123355696
CID 123356473
CID 123356473
N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
CID 123493065
N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine
CID 123579435

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine?
The IUPAC name of N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine (CID 123385474) is N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine.
What is the SMILES notation for N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine?
The canonical SMILES for N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine is C=CC(/N=C(\C)CCCC)=C(C)C(C)C.
What is the InChIKey of N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine?
The InChIKey is MPYHGIFETNGGQX-QTGIPPBTSA-N. The full InChI is InChI=1S/C14H25N/c1-7-9-10-12(5)15-14(8-2)13(6)11(3)4/h8,11H,2,7,9-10H2,1,3-6H3/b14-13?,15-12+.
What are the key properties of N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine?
N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine has a molecular weight of 207.36 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine is sourced from PubChem (CID 123385474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).